N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[4-[(5-fluoranyl-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(5-fluoro-2-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[4-(5-fluoro-2-methoxy-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C23H27FN3O5+ MolecularWeight: 444.475983

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)F)OC)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCN(CC3)CC4=C(C=CC(=C4)F)OC)OCO2

InChI

InChI=1S/C23H26FN3O5/c1-15(28)18-10-21-22(32-14-31-21)11-19(18)25-23(29)13-27-7-5-26(6-8-27)12-16-9-17(24)3-4-20(16)30-2/h3-4,9-11H,5-8,12-14H2,1-2H3,(H,25,29)/p+1